• Formula : AgClO2
  • Space Group : Pcca (54)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.0754
    b = 6.6796
    c = 6.1226
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 120
  • Band gap = 0.7885 eV
    Direct Gap = 1.065 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (III),
    Acta Crystallographica, Section C 46, 1755 (1990)

Band structure with spin-orbit coupling